1-[2-(1-methoxybutyl)-4-methyl-1,3-thiazol-5-yl]ethanol

C11H19NO2S — CID 116728201

IUPAC1-[2-(1-methoxybutyl)-4-methyl-1,3-thiazol-5-yl]ethanol
SMILESCCCC(OC)c1nc(C)c(C(C)O)s1
InChIInChI=1S/C11H19NO2S/c1-5-6-9(14-4)11-12-7(2)10(15-11)8(3)13/h8-9,13H,5-6H2,1-4H3
InChIKeyFZNBJLSHBHEYLS-UHFFFAOYSA-N
MW229.34 g/mol
LogP2.99
Rot. Bonds5

About 1-[2-(1-methoxybutyl)-4-methyl-1,3-thiazol-5-yl]ethanol

1-[2-(1-methoxybutyl)-4-methyl-1,3-thiazol-5-yl]ethanol (PubChem CID 116728201) has the molecular formula C11H19NO2S and a molecular weight of 229.34 g/mol. Its IUPAC name is 1-[2-(1-methoxybutyl)-4-methyl-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[2-(1-methoxybutyl)-4-methyl-1,3-thiazol-5-yl]ethanol
PubChem CID116728201
Molecular FormulaC11H19NO2S
Molecular Weight229.34 g/mol
Exact Mass229.11
IUPAC Name1-[2-(1-methoxybutyl)-4-methyl-1,3-thiazol-5-yl]ethanol
SMILESCCCC(OC)c1nc(C)c(C(C)O)s1
InChIInChI=1S/C11H19NO2S/c1-5-6-9(14-4)11-12-7(2)10(15-11)8(3)13/h8-9,13H,5-6H2,1-4H3
InChIKeyFZNBJLSHBHEYLS-UHFFFAOYSA-N
XLogP2.99
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methoxybutyl)-4-methyl-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 1-[2-(1-methoxybutyl)-4-methyl-1,3-thiazol-5-yl]ethanol (CID 116728201) is 1-[2-(1-methoxybutyl)-4-methyl-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 1-[2-(1-methoxybutyl)-4-methyl-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 1-[2-(1-methoxybutyl)-4-methyl-1,3-thiazol-5-yl]ethanol is CCCC(OC)c1nc(C)c(C(C)O)s1.
What is the InChIKey of 1-[2-(1-methoxybutyl)-4-methyl-1,3-thiazol-5-yl]ethanol?
The InChIKey is FZNBJLSHBHEYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2S/c1-5-6-9(14-4)11-12-7(2)10(15-11)8(3)13/h8-9,13H,5-6H2,1-4H3.
What are the key properties of 1-[2-(1-methoxybutyl)-4-methyl-1,3-thiazol-5-yl]ethanol?
1-[2-(1-methoxybutyl)-4-methyl-1,3-thiazol-5-yl]ethanol has a molecular weight of 229.34 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methoxybutyl)-4-methyl-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 116728201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).